SCHEMBL534432

SCHEMBL534432

CCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCOc1ccc(C(Cl)c2ccc(OCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.54
SLC2A1 P11166 1/20 0.53
LMNA P02545 2/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
LTA4H P09960 3/20 0.49
PLA2G4B P0C869 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL534635 0.95 NR5A1 (0.59) NR5A1SLC2A1LMNAMMP9MMP8
SCHEMBL13303555 0.89 SLC2A1 (0.53) NR5A1SLC2A1LTA4HCYP3A4MAPK1
SCHEMBL13033909 0.89 NR5A1 (0.53) NR5A1SLC2A1LMNAMMP9MMP8
SCHEMBL534435 0.83 SLC2A1 (0.60) NR5A1SLC2A1LMNAMMP9MMP8
SCHEMBL13172437 0.80 NR5A1 (0.63) NR5A1SLC2A1LMNAMMP9MMP8
SCHEMBL5473083 0.80 NR5A1 (0.79) NR5A1LMNATP53TSHRLTA4H
SCHEMBL10943900 0.80 NR5A1 (0.79) NR5A1LMNATP53TSHRLTA4H
SCHEMBL2829024 0.80 NR5A1 (0.79) NR5A1LMNATP53TSHRLTA4H
SCHEMBL1573968 0.80 NR5A1 (0.79) NR5A1LMNATP53TSHRLTA4H
SCHEMBL11095674 0.80 NR5A1 (0.79) NR5A1LMNATP53TSHRLTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670121-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2017-06-06 US disclosed
US-20160060198-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
US-9169187-B2 Method of making peptides using diphenylmethane compound AJINOMOTO CO., INC. (JP) 2015-10-27 US disclosed
US-20140213761-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC (JP) 2014-07-31 US disclosed
US-8722934-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2014-05-13 US disclosed
EP-2415745-A1 DIPHENYLMETHANE COMPOUND Ajinomoto Co., Inc. (JP) 2012-02-08 EP disclosed
US-20100249374-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC. (JP) 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249374-A1 DIPHENYLMETHANE COMPOUND CCKAR, DNPEP, QPCTL NR5A1 2883/4885SLC2A1 4330/4885LMNA 300/4885
US-20140213761-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR NR5A1 3226/4885SLC2A1 3858/4885LMNA 310/4885
US-20160060198-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR NR5A1 3226/4885SLC2A1 3858/4885LMNA 310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.